4-Aminobenzo-15-crown-5 hydrochloride

C14H22ClNO5CAS 111076-66-5319.78 g/mol

Open in Covalent MOL file
OONH2OOOHCl
EtherPrimary amine

Properties

Molecular formula
C14H22ClNO5
Molar mass
319.78 g/mol
Exact mass
319.1187 Da
logP
1.51Crippen estimate
Polar surface area
72.2 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
111076-66-5
SMILES
C1COCCOC2=C(C=C(C=C2)N)OCCOCCO1.Cl
InChIKey
HZNFLCQAHYOUST-UHFFFAOYSA-N
InChI
InChI=1S/C14H21NO5.ClH/c15-12-1-2-13-14(11-12)20-10-8-18-6-4-16-3-5-17-7-9-19-13;/h1-2,11H,3-10,15H2;1H

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Work with 4-Aminobenzo-15-crown-5 hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4'-Aminobenzo-15-crown-5-ether60835-71-4Free base

Similar compounds

1,4-Benzodioxan-6-amine22013-33-878 % similar Benzodioxol-5-amine14268-66-760 % similar 3,4-Diethoxyaniline39052-12-559 % similar 1,3-Bis(2,4-diaminophenoxy)propane tetrahydrochloride74918-21-157 % similar 2,4-Diaminophenoxyethanol dihydrochloride66422-95-553 % similar 2,3-Dihydro-1-benzofuran-5-amine42933-43-750 % similar 1,3-Bis-(2,4-diaminophenoxy)propane81892-72-049 % similar Benzo-18-crown-614098-24-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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